Spektraris NMR
LS-1
Common Name: LS-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-17-6-3-7-18(2)15(17)14(26-16(17)22)10-19(23,12-21)20(18,24)8-4-13-5-9-25-11-13/h5,9,11,14-15,21,23-24H,3-4,6-8,10,12H2,1-2H3/t14-,15+,17+,18+,19-,20+/m1/s1
InChIKey: InChIKey=VZRWIDGDKDCZIY-FHZWTMRJSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Satoh, M., Satoh, Y., Isobe, K., Fujimoto, Y. Chem Pharm Bull (2003) 51, 341-2
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 29 |
| 2 (CH2) | 17.5 |
| 3 (CH2) | 28.3 |
| 4 (C) | 42.2 |
| 5 (CH) | 44.3 |
| 6 (CH) | 74.1 |
| 7 (CH2) | 35.9 |
| 8 (C) | 73.7 |
| 9 (C) | 94.9 |
| 10 (C) | 39.6 |
| 11 (CH2) | 29.6 |
| 12 (CH2) | 20.1 |
| 13 (C) | 125.4 |
| 14 (CH) | 111.1 |
| 15 (CH) | 142.7 |
| 16 (CH) | 138.8 |
| 17 (CH2) | 78.3 |
| 18 (CH3) | 24.4 |
| 19 (C) | 182.7 |
| 20 (CH3) | 21 |
